1-tert-butyl-3-chlorobenzene

Base Information

• Chemical Name: 1-tert-butyl-3-chlorobenzene
• CAS No.: 3972-55-2
• Molecular Formula: C10H13Cl
• Molecular Weight: 168.666
• Mol file: 3972-55-2.mol

Synonyms:

Chemical Property of 1-tert-butyl-3-chlorobenzene

Chemical Property:

• Vapor Pressure: 0.625mmHg at 25°C
• Boiling Point: 194.2°Cat760mmHg
• Flash Point: 82.9°C
• Density: 1.003g/cm³

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-tert-butyl-3-chlorobenzene

There total 14 articles about 1-tert-butyl-3-chlorobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 63.0%

3-tert-butylaniline (5369-19-7) → 1-tert-butyl-3-chloro-benzene (3972-55-2)

Guidance literature:

3-tert-butylaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h; Inert atmosphere;

With hydrogenchloride; copper(l) chloride; In water; at 0 ℃; for 5h; Inert atmosphere;

DOI:10.1002/anie.201702063

Reference yield:

tert-butylbenzene (253185-03-4,253185-04-5) → 1-tert-butyl-3-chloro-benzene (3972-55-2) + 4-(tert-butyl)chlorobenzene (3972-56-3) + 2-chloro-tert-butylbenzene (7073-98-5)

Guidance literature:

With sulfuryl dichloride; zeolite ZF₅₂₀; for 2h; Yield given. Yields of byproduct given; Heating;

DOI:10.1021/jo00305a023

Reference yield:

tert-butylbenzene (253185-03-4,253185-04-5) + chlorine (7782-50-5) + acetic acid (64-19-7,77671-22-8) → 1-tert-butyl-3-chloro-benzene (3972-55-2) + 4-(tert-butyl)chlorobenzene (3972-56-3) + 2-chloro-tert-butylbenzene (7073-98-5)

Guidance literature:

at 25 ℃; Kinetics;

DOI:10.1021/ja01530a024

upstream raw materials:

4-t-butyl-2-chloroaniline

tert-butylbenzene

aluminium trichloride

tertiary butyl chloride

Downstream raw materials:

β-(3-Chlorphenyl)-isovaleraldehyd

5-t-butylisophthalic acid

β-<3-Chlor-phenyl>-iso-butylchlorid

3-t-Butylbenzoic acid

Refernces

• 1、 Hartsel, Joshua A.,Craft, Derek T.,Chen, Qiao-Hong,Ma, Ming,Carlier, Paul R.. "Access to "friedel-Crafts-Restricted" tert -alkyl aromatics by activation/methylation of tertiary benzylic alcohols". experimental part. p. 3127 - 3133. Retrieved 2012/05/20.
• 2、 Delaude, Lionel,Laszlo, Pierre. "Versatility of Zeolites as Catalysts for Ring or Side-Chain Aromatic Chlorinations by Sulfuryl Chloride". . p. 5260 - 5269. Retrieved 2007/10/02.